Name: Compound T128280
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212525375
Cas No:
常用名:Compound T128280
别名:(2R,3R,4S,5S,6R)-2-[(2H-1,3-benzodioxol-5-yl)methoxy]-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol
别名:(2R,3R,4S,5S,6R)-2-[(2H-1,3-benzodioxol-5-yl)methoxy]-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol
IUPAC:(2R,3R,4S,5S,6R)-2-[(2H-1,3-benzodioxol-5-yl)methoxy]-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol
IUPAC:(2R,3R,4S,5S,6R)-2-[(2H-1,3-benzodioxol-5-yl)methoxy]-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol
InChI key:PPLHEXYBZJOGTR-OTCFHACESA-N

分子式:C19H26O12
分子量:446.405
氢键供体数 (HBD):6
氢键受体数 (HBA):12
LogP:-2.218
SMILES:OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCc3ccc4OCOc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
SMILES:OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCc3ccc4OCOc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O

(2R,3R,4S,5S,6R)-2-[(2H-1,3-benzodioxol-5-yl)methoxy]-6-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol 是一种从植物中分离到的碳水化合物。

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